CID 18423

Dimethyl((phenylcarbamoyl)methyl)(3-phenylpropyl)ammonium bromide

Structural Information

Molecular Formula
C19H25N2O
SMILES
C[N+](C)(CCCC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C19H24N2O/c1-21(2,15-9-12-17-10-5-3-6-11-17)16-19(22)20-18-13-7-4-8-14-18/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3/p+1
InChIKey
SGVACGPAMWFQMS-UHFFFAOYSA-O
Compound name
(2-anilino-2-oxoethyl)-dimethyl-(3-phenylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1967 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20398 172.4
[M+Na]+ 320.18592 175.6
[M-H]- 296.18942 179.5
[M+NH4]+ 315.23052 187.0
[M+K]+ 336.15986 166.4
[M+H-H2O]+ 280.19396 166.4
[M+HCOO]- 342.19490 195.8
[M+CH3COO]- 356.21055 204.2
[M+Na-2H]- 318.17137 180.7
[M]+ 297.19615 171.4
[M]- 297.19725 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.